(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol

C15H13F3O — CID 103303353

IUPAC(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCCc1ccc(C(O)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H13F3O/c1-2-9-3-5-10(6-4-9)15(19)11-7-13(17)14(18)8-12(11)16/h3-8,15,19H,2H2,1H3
InChIKeyZUYIULPLKAXYCP-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.75
Rot. Bonds3

About (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol

(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol (PubChem CID 103303353) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
PubChem CID103303353
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol
SMILESCCc1ccc(C(O)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H13F3O/c1-2-9-3-5-10(6-4-9)15(19)11-7-13(17)14(18)8-12(11)16/h3-8,15,19H,2H2,1H3
InChIKeyZUYIULPLKAXYCP-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 115524847
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
(2-ethylfuran-3-yl)-(4-ethylphenyl)methanol
CID 114103668
(2,4-difluorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 61100850
(2-ethyl-4-fluorophenyl)-(4-fluorophenyl)methanol
CID 146466403
(2,4-difluoro-5-methylphenyl)-(4-iodophenyl)methanol
CID 79731098
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
(4-butylphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63426915
(5-bromo-2-iodophenyl)-(4-ethylphenyl)methanol
CID 114033085
(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
4-bromo-1-[bromo-(4-ethylphenyl)methyl]-2-fluorobenzene
CID 63439911
(2-fluorophenyl)-(4-propylphenyl)methanol
CID 61087386

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol?
The IUPAC name of (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol (CID 103303353) is (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol?
The canonical SMILES for (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol is CCc1ccc(C(O)c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol?
The InChIKey is ZUYIULPLKAXYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-2-9-3-5-10(6-4-9)15(19)11-7-13(17)14(18)8-12(11)16/h3-8,15,19H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol?
(4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol has a molecular weight of 266.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(2,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 103303353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).